3-(7-bromanyl-4-oxidanylidene-spiro[3H-chromene-2,1'-cyclohexane]-3-yl)propanenitrile

Systemtic Name: 3-(7-bromanyl-4-oxidanylidene-spiro[3H-chromene-2,1'-cyclohexane]-3-yl)propanenitrile Openeye Name: 3-(7-bromo-4-oxo-spiro[chromane-2,1'-cyclohexane]-3-yl)propanenitrile CAS Name: 3-(7-bromo-4-oxo-3-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclohexane]yl)propanenitrile IUPAC Name: 3-(7-bromo-4-oxospiro[3H-chromene-2,1'-cyclohexane]-3-yl)propanenitrile Traditional Name: 3-(7-bromo-4-keto-spiro[chroman-2,1'-cyclohexane]-3-yl)propionitrile Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(C(=O)C3=C(O2)C=C(C=C3)Br)CCC#N

Isomeric SMILES

C1CCC2(CC1)C(C(=O)C3=C(O2)C=C(C=C3)Br)CCC#N

InChI

InChI=1S/C17H18BrNO2/c18-12-6-7-13-15(11-12)21-17(8-2-1-3-9-17)14(16(13)20)5-4-10-19/h6-7,11,14H,1-5,8-9H2